Task 38696772

Name test_995-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6891_1
Workunit 31637286
Created 1 Nov 2026, 4:32:33 UTC
Sent 1 Nov 2026, 4:32:38 UTC
Report deadline 6 Nov 2026, 4:32:38 UTC
Received 1 Nov 2026, 5:42:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 38 min 37 sec
CPU time 36 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.33 MB
Peak swap size 12.94 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
05:39:32 (5360): wrapper (7.9.26016): starting
05:39:32 (5360): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
05:39:33 (5360): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:39:33 (5360): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\boinc\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\boinc\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
06:16:46 (5360): C:/Windows/system32/cmd.exe exited; CPU time 2210.421875
06:16:46 (5360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 35855099 bytes.
Dumping objects ->
{3835315} normal block at 0x000001EC74664750, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835304} normal block at 0x000001EC7646F510, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835293} normal block at 0x000001EC7646ED90, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835282} normal block at 0x000001EC7646EC70, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835271} normal block at 0x000001EC76470170, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835240} normal block at 0x000001EC746646E0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835229} normal block at 0x000001EC7643DCC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835226} normal block at 0x000001EC7465E710, 8 bytes long.
 Data: <  &#178;t&#236;   > 00 00 B2 74 EC 01 00 00 
{3834587} normal block at 0x000001EC7643DED0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001EC7465E620, 8 bytes long.
 Data: < 2Hv&#236;   > 80 32 48 76 EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EC74660550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EC7464F070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001EC746655E0, 16 bytes long.
 Data: < Rft&#236;           > 18 52 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EC74665A40, 16 bytes long.
 Data: <&#240;Qft&#236;           > F0 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC7465F670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001EC74665810, 16 bytes long.
 Data: <&#200;Qft&#236;           > C8 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EC746657C0, 16 bytes long.
 Data: <&#160;Qft&#236;           > A0 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC74665A90, 16 bytes long.
 Data: <xQft&#236;           > 78 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EC74665E50, 16 bytes long.
 Data: <PQft&#236;           > 50 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EC746642F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001EC74665E00, 16 bytes long.
 Data: <x&#180;dt&#236;           > 78 B4 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EC7465FAF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001EC74665FE0, 16 bytes long.
 Data: <P&#180;dt&#236;           > 50 B4 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC74665590, 16 bytes long.
 Data: <(&#180;dt&#236;           > 28 B4 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC74666260, 16 bytes long.
 Data: < &#180;dt&#236;           > 00 B4 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EC74665C70, 16 bytes long.
 Data: <&#216;&#179;dt&#236;           > D8 B3 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC74665DB0, 16 bytes long.
 Data: <&#176;&#179;dt&#236;           > B0 B3 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EC74665860, 16 bytes long.
 Data: < &#179;dt&#236;           > 88 B3 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC7465EFB0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x000001EC74666030, 16 bytes long.
 Data: <`&#179;dt&#236;           > 60 B3 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EC7464B360, 320 bytes long.
 Data: <0`ft&#236;   &#176;&#239;et&#236;   > 30 60 66 74 EC 01 00 00 B0 EF 65 74 EC 01 00 00 
{273} normal block at 0x000001EC746659F0, 16 bytes long.
 Data: <0Qft&#236;           > 30 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EC74665D60, 16 bytes long.
 Data: < Qft&#236;           > 08 51 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC7465FBB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001EC746659A0, 16 bytes long.
 Data: <&#224;Pft&#236;           > E0 50 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EC7465F610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001EC74665CC0, 16 bytes long.
 Data: <(Pft&#236;           > 28 50 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC74665F90, 16 bytes long.
 Data: < Pft&#236;           > 00 50 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EC74665950, 16 bytes long.
 Data: <&#216;Oft&#236;           > D8 4F 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC74666120, 16 bytes long.
 Data: <&#176;Oft&#236;           > B0 4F 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC746660D0, 16 bytes long.
 Data: < Oft&#236;           > 88 4F 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EC7465E670, 16 bytes long.
 Data: <`Oft&#236;           > 60 4F 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EC7465EDA0, 16 bytes long.
 Data: <&#208;Cft&#236;           > D0 43 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EC746643D0, 40 bytes long.
 Data: <&#160;&#237;et&#236;   &#224;Fft&#236;   > A0 ED 65 74 EC 01 00 00 E0 46 66 74 EC 01 00 00 
{259} normal block at 0x000001EC7465E440, 16 bytes long.
 Data: <@Oft&#236;           > 40 4F 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EC7465E3F0, 16 bytes long.
 Data: < Oft&#236;           > 18 4F 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EC7465F730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001EC7465EB70, 16 bytes long.
 Data: <&#240;Nft&#236;           > F0 4E 66 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EC74664EF0, 992 bytes long.
 Data: <p&#235;et&#236;   0&#247;et&#236;   > 70 EB 65 74 EC 01 00 00 30 F7 65 74 EC 01 00 00 
{91} normal block at 0x000001EC7465F190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001EC7465DF90, 16 bytes long.
 Data: <&#224;&#197;dt&#236;           > E0 C5 64 74 EC 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001EC7464C5E0, 40 bytes long.
 Data: < &#223;et&#236;    &#241;et&#236;   > 90 DF 65 74 EC 01 00 00 90 F1 65 74 EC 01 00 00 
{68} normal block at 0x000001EC7465E580, 16 bytes long.
 Data: < &#234; 6&#246;           > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EC7465EC10, 16 bytes long.
 Data: <@&#233; 6&#246;           > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC7465E9E0, 16 bytes long.
 Data: <&#248;W	6&#246;           > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EC7465E800, 16 bytes long.
 Data: <&#216;W	6&#246;           > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EC7465E260, 16 bytes long.
 Data: <P 	6&#246;           > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EC7465E080, 16 bytes long.
 Data: <0 	6&#246;           > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EC7465E6C0, 16 bytes long.
 Data: <&#224; 	6&#246;           > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EC7465E030, 16 bytes long.
 Data: <  	6&#246;           > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EC7465E170, 16 bytes long.
 Data: <p 	6&#246;           > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EC7465E120, 16 bytes long.
 Data: < &#192; 6&#246;           > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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